4-(4-methoxyphenyl)sulfonyl-1,4-diazepane-5-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1,4-diazepane-5-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1,4-diazepane-5-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1,4-diazepane-5-carboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1,4-diazepane-5-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1,4-diazepane-5-carboxylic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCNCCC2C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCNCCC2C(=O)O

InChI

InChI=1S/C13H18N2O5S/c1-20-10-2-4-11(5-3-10)21(18,19)15-9-8-14-7-6-12(15)13(16)17/h2-5,12,14H,6-9H2,1H3,(H,16,17)